methyl 2-[4-[(Z)-[[2-(2-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate

C18H16FN3O5 — CID 94832671

IUPACmethyl 2-[4-[(Z)-[[2-(2-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C18H16FN3O5/c1-26-16(23)11-27-13-8-6-12(7-9-13)10-20-22-18(25)17(24)21-15-5-3-2-4-14(15)19/h2-10H,11H2,1H3,(H,21,24)(H,22,25)/b20-10-
InChIKeyHFMGTINWYWCNMB-JMIUGGIZSA-N
MW373.34 g/mol
LogP1.47
Rot. Bonds6

About methyl 2-[4-[(Z)-[[2-(2-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate

methyl 2-[4-[(Z)-[[2-(2-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate (PubChem CID 94832671) has the molecular formula C18H16FN3O5 and a molecular weight of 373.34 g/mol. Its IUPAC name is methyl 2-[4-[(Z)-[[2-(2-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(Z)-[[2-(2-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
PubChem CID94832671
Molecular FormulaC18H16FN3O5
Molecular Weight373.34 g/mol
Exact Mass373.11
IUPAC Namemethyl 2-[4-[(Z)-[[2-(2-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C18H16FN3O5/c1-26-16(23)11-27-13-8-6-12(7-9-13)10-20-22-18(25)17(24)21-15-5-3-2-4-14(15)19/h2-10H,11H2,1H3,(H,21,24)(H,22,25)/b20-10-
InChIKeyHFMGTINWYWCNMB-JMIUGGIZSA-N
XLogP1.47
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)-N'-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832672
N-(2-fluorophenyl)-N'-[(E)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 17202171
N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 126181865
2-[4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 4097734
methyl 2-[4-[(Z)-[[2-(4-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 94832752
N-(2-fluorophenyl)-N'-[(Z)-(3-methoxyphenyl)methylideneamino]oxamide
CID 6174024
N'-[(Z)-[4-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 126169567
2-[4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 7016859
methyl 2-[4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 94833156
N'-[(E)-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 6893019
2-[4-[(Z)-[[2-(2,3-dimethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8989747
N-(2-ethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 3318922

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(Z)-[[2-(2-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[(Z)-[[2-(2-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate (CID 94832671) is methyl 2-[4-[(Z)-[[2-(2-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(Z)-[[2-(2-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(Z)-[[2-(2-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate is COC(=O)COc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2F)cc1.
What is the InChIKey of methyl 2-[4-[(Z)-[[2-(2-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate?
The InChIKey is HFMGTINWYWCNMB-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H16FN3O5/c1-26-16(23)11-27-13-8-6-12(7-9-13)10-20-22-18(25)17(24)21-15-5-3-2-4-14(15)19/h2-10H,11H2,1H3,(H,21,24)(H,22,25)/b20-10-.
What are the key properties of methyl 2-[4-[(Z)-[[2-(2-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate?
methyl 2-[4-[(Z)-[[2-(2-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate has a molecular weight of 373.34 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(Z)-[[2-(2-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate is sourced from PubChem (CID 94832671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).